5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol

C16H23N3O — CID 107302931

IUPAC5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
SMILESCc1ncc(CNCCCCCO)n1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-14-18-13-16(12-17-10-6-3-7-11-20)19(14)15-8-4-2-5-9-15/h2,4-5,8-9,13,17,20H,3,6-7,10-12H2,1H3
InChIKeyBCCIPTWYYIPMOF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.43
Rot. Bonds8

About 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol

5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol (PubChem CID 107302931) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
PubChem CID107302931
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
SMILESCc1ncc(CNCCCCCO)n1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-14-18-13-16(12-17-10-6-3-7-11-20)19(14)15-8-4-2-5-9-15/h2,4-5,8-9,13,17,20H,3,6-7,10-12H2,1H3
InChIKeyBCCIPTWYYIPMOF-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
CID 79178650
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
CID 106233404
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 79178221
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785
N'-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-N'-prop-2-ynylpropane-1,3-diamine
CID 126816091
4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
CID 111969454
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 79036219
2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
CID 102695833
[1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]cyclopentyl]methanol
CID 79179323
1-(2-methyl-3-phenylimidazol-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392406
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79179309

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol (CID 107302931) is 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol is Cc1ncc(CNCCCCCO)n1-c1ccccc1.
What is the InChIKey of 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is BCCIPTWYYIPMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-14-18-13-16(12-17-10-6-3-7-11-20)19(14)15-8-4-2-5-9-15/h2,4-5,8-9,13,17,20H,3,6-7,10-12H2,1H3.
What are the key properties of 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol?
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107302931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).